[2-(2-methoxyethyl)-3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] thiophene-2-carboxylate

Systemtic Name: [2-(2-methoxyethyl)-3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] thiophene-2-carboxylate Openeye Name: [2-(2-methoxyethyl)-3-(4-methoxy-4-oxo-butyl)-7-methyl-6,8-dioxo-7-isoquinolyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-(2-methoxyethyl)-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [2-(2-methoxyethyl)-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [6,8-diketo-3-(4-keto-4-methoxy-butyl)-2-(2-methoxyethyl)-7-methyl-7-isoquinolyl] ester Formula: C23H25NO7S MolecularWeight: 459.5121

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CCOC)CCCC(=O)OC)OC(=O)C3=CC=CS3

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CCOC)CCCC(=O)OC)OC(=O)C3=CC=CS3

InChI

InChI=1S/C23H25NO7S/c1-23(31-22(28)18-7-5-11-32-18)19(25)13-15-12-16(6-4-8-20(26)30-3)24(9-10-29-2)14-17(15)21(23)27/h5,7,11-14H,4,6,8-10H2,1-3H3